==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JAN-12 4AE7 . COMPND 2 MOLECULE: THIOESTERASE SUPERFAMILY MEMBER 5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.ZHURAVLEVA,H.GUT,D.HYNX,D.MARCELLIN,C.K.E.BLECK,C.GENOUD,P . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 30.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 22 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 0 0 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 52 A L 0 0 188 0, 0.0 2,-0.2 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0-101.3 -21.2 -8.0 17.6 2 53 A K - 0 0 123 1,-0.1 2,-0.8 33,-0.0 36,-0.3 -0.454 360.0-145.0 -67.4 129.1 -21.2 -9.6 14.2 3 54 A D - 0 0 29 -2,-0.2 34,-0.2 1,-0.1 3,-0.2 -0.861 13.4-172.9 -94.2 108.5 -18.0 -11.4 13.3 4 55 A Y S S+ 0 0 37 32,-3.1 2,-1.0 -2,-0.8 65,-0.3 0.602 71.1 82.6 -77.2 -11.7 -17.5 -10.9 9.6 5 56 A A S S+ 0 0 0 31,-0.3 -1,-0.2 63,-0.1 65,-0.1 -0.343 73.9 95.9 -90.7 51.8 -14.6 -13.3 9.6 6 57 A L S S- 0 0 75 -2,-1.0 63,-0.1 -3,-0.2 0, 0.0 -0.948 85.7 -82.4-134.4 154.6 -16.9 -16.3 9.3 7 58 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.164 47.0 173.4 -58.8 149.5 -17.9 -18.2 6.2 8 59 A N > - 0 0 46 56,-0.0 3,-1.8 -4,-0.0 -4,-0.0 -0.890 50.6 -86.4-141.8 177.8 -20.7 -17.0 4.1 9 60 A A T 3 S+ 0 0 92 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 0.667 118.9 65.2 -60.7 -17.9 -22.2 -18.1 0.7 10 61 A S T 3 S+ 0 0 27 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.682 73.0 108.9 -81.4 -17.0 -19.7 -16.0 -1.2 11 62 A W < - 0 0 19 -3,-1.8 127,-0.0 1,-0.1 128,-0.0 -0.411 69.7-125.0 -67.2 130.4 -16.5 -17.9 -0.1 12 63 A C > - 0 0 35 -2,-0.2 4,-2.3 125,-0.1 5,-0.2 -0.210 27.1-102.4 -66.8 163.9 -14.9 -19.9 -2.9 13 64 A S H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 120.8 50.3 -56.7 -44.8 -14.2 -23.6 -2.4 14 65 A D H > S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 109.7 50.7 -64.3 -40.5 -10.5 -23.2 -1.8 15 66 A M H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 112.1 46.9 -63.0 -43.9 -11.1 -20.5 0.8 16 67 A L H X S+ 0 0 72 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 112.5 50.5 -63.3 -42.3 -13.6 -22.7 2.7 17 68 A S H X S+ 0 0 51 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.938 113.3 43.9 -62.7 -46.6 -11.3 -25.7 2.5 18 69 A L H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.880 110.1 57.0 -69.5 -35.4 -8.3 -23.7 3.9 19 70 A Y H X S+ 0 0 13 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.925 106.5 49.4 -55.7 -47.7 -10.5 -22.1 6.5 20 71 A Q H X S+ 0 0 94 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.881 108.7 53.7 -61.1 -38.3 -11.5 -25.6 7.8 21 72 A E H X S+ 0 0 85 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.916 111.5 44.6 -63.7 -42.8 -7.9 -26.6 7.9 22 73 A F H X S+ 0 0 14 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.857 107.0 58.8 -71.8 -33.0 -7.0 -23.5 10.0 23 74 A L H >X S+ 0 0 46 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.921 106.0 50.4 -56.8 -43.2 -10.0 -24.1 12.3 24 75 A E H >X S+ 0 0 112 -4,-1.9 4,-1.5 1,-0.2 3,-1.1 0.872 104.8 57.3 -62.3 -37.4 -8.6 -27.5 13.0 25 76 A K H 3X S+ 0 0 64 -4,-1.4 4,-1.9 1,-0.3 6,-1.3 0.768 99.3 59.0 -64.9 -27.0 -5.2 -25.8 13.8 26 77 A T H << S+ 0 0 41 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.698 106.5 50.7 -73.8 -17.6 -7.0 -23.7 16.4 27 78 A K H << S+ 0 0 157 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.852 130.9 8.0 -83.7 -39.6 -8.0 -27.0 18.1 28 79 A S H < S+ 0 0 97 -4,-1.5 -2,-0.2 1,-0.0 -3,-0.2 0.326 124.7 51.8-131.4 8.0 -4.6 -28.7 18.3 29 80 A S S < S- 0 0 57 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.301 100.5-107.1-136.1 8.1 -1.9 -26.3 17.2 30 81 A G S S+ 0 0 45 1,-0.3 -4,-0.2 -5,-0.2 46,-0.2 0.433 70.5 139.6 83.1 -2.1 -2.3 -23.1 19.3 31 82 A W - 0 0 28 -6,-1.3 2,-0.4 43,-0.2 -1,-0.3 -0.366 36.3-154.7 -69.9 154.6 -3.6 -21.0 16.5 32 83 A I E -A 73 0A 71 41,-2.5 41,-2.9 -3,-0.1 2,-0.5 -0.994 12.8-130.0-130.9 142.5 -6.5 -18.6 17.1 33 84 A K E -A 72 0A 46 -2,-0.4 39,-0.2 39,-0.2 -28,-0.0 -0.783 25.6-137.3 -86.6 127.4 -9.1 -17.2 14.7 34 85 A L - 0 0 15 37,-2.9 37,-0.4 -2,-0.5 2,-0.1 -0.659 14.0-128.0 -81.9 140.4 -9.3 -13.4 15.0 35 86 A P - 0 0 61 0, 0.0 2,-0.4 0, 0.0 -32,-0.1 -0.469 15.2-148.3 -74.4 157.7 -12.8 -11.9 15.0 36 87 A S - 0 0 10 -2,-0.1 -32,-3.1 33,-0.0 -31,-0.3 -0.894 17.4-171.2-131.3 104.9 -13.4 -9.1 12.5 37 88 A F - 0 0 56 -2,-0.4 18,-0.2 -34,-0.2 -34,-0.1 -0.401 40.5 -98.8 -92.3 169.9 -15.9 -6.5 13.6 38 89 A K S S- 0 0 122 -36,-0.3 17,-2.4 -2,-0.1 2,-0.3 0.722 102.4 -0.6 -63.8 -22.0 -17.5 -3.7 11.7 39 90 A S - 0 0 20 15,-0.3 -2,-0.1 2,-0.2 -1,-0.1 -0.980 67.1-113.3-156.4 168.5 -15.0 -1.2 13.1 40 91 A N S > S+ 0 0 59 -2,-0.3 3,-2.4 2,-0.1 4,-0.1 0.604 74.0 123.8 -75.8 -13.3 -12.0 -1.0 15.5 41 92 A R T 3 S+ 0 0 154 1,-0.3 -2,-0.2 2,-0.2 14,-0.1 -0.229 85.4 1.4 -57.2 133.7 -14.0 1.2 17.9 42 93 A D T 3 S+ 0 0 155 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.677 113.5 95.7 61.6 18.5 -14.2 -0.2 21.4 43 94 A H S < S+ 0 0 85 -3,-2.4 2,-0.2 1,-0.2 -2,-0.2 0.114 70.7 60.4-126.0 19.2 -11.9 -3.0 20.1 44 95 A I S > S- 0 0 27 -4,-0.1 3,-1.6 3,-0.1 -1,-0.2 -0.679 87.7-137.6-141.6 85.8 -8.5 -1.7 21.2 45 96 A R T 3 S+ 0 0 256 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 -0.182 78.8 2.4 -55.6 119.8 -8.7 -1.3 25.0 46 97 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 -2,-0.0 -1,-0.2 0.611 83.6 164.5 87.2 15.1 -7.2 1.8 26.4 47 98 A L < - 0 0 61 -3,-1.6 2,-0.5 1,-0.0 -1,-0.2 -0.486 18.4-166.0 -73.0 126.5 -6.2 3.4 23.1 48 99 A K - 0 0 149 -2,-0.3 -1,-0.0 2,-0.0 0, 0.0 -0.959 8.4-171.1-116.2 121.0 -5.4 7.2 23.2 49 100 A L 0 0 131 -2,-0.5 0, 0.0 1,-0.0 0, 0.0 -0.685 360.0 360.0-110.2 160.1 -5.3 9.0 19.9 50 101 A P 0 0 175 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.316 360.0 360.0 -61.7 360.0 -4.1 12.6 19.0 51 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 52 112 A D 0 0 198 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.1 -21.8 5.6 11.1 53 113 A C - 0 0 56 -12,-0.0 2,-0.3 -14,-0.0 -12,-0.0 -0.844 360.0-172.0-116.1 153.0 -18.1 4.5 10.8 54 114 A R - 0 0 126 -2,-0.3 -15,-0.3 -15,-0.0 2,-0.2 -0.995 33.1-106.0-139.1 147.3 -16.5 1.3 9.5 55 115 A I > - 0 0 18 -17,-2.4 3,-2.3 -2,-0.3 0, 0.0 -0.515 43.3-115.1 -65.7 140.6 -13.0 -0.2 9.5 56 116 A F G > S+ 0 0 132 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.845 112.9 54.4 -51.9 -44.9 -11.8 0.2 5.9 57 117 A T G 3 S+ 0 0 3 1,-0.3 10,-0.3 2,-0.1 -1,-0.3 0.596 113.2 45.0 -73.2 -6.6 -11.5 -3.5 5.1 58 118 A R G < S+ 0 0 5 -3,-2.3 -1,-0.3 -20,-0.2 -2,-0.2 -0.012 75.7 117.1-115.5 28.9 -15.2 -3.9 6.2 59 119 A C S < S+ 0 0 48 -3,-2.0 2,-0.5 -5,-0.1 -2,-0.1 0.800 73.7 55.4 -66.5 -26.5 -16.3 -0.8 4.2 60 120 A I + 0 0 39 -4,-0.2 7,-0.2 -3,-0.1 6,-0.1 -0.932 60.6 176.3-107.8 123.6 -18.5 -3.1 2.1 61 121 A Q + 0 0 76 -2,-0.5 2,-0.5 2,-0.1 -1,-0.1 0.588 49.1 105.2-103.6 -12.5 -20.9 -5.3 4.1 62 122 A V S >> S- 0 0 96 1,-0.1 3,-1.7 2,-0.1 4,-0.7 -0.581 84.5-107.6 -71.0 118.3 -22.7 -6.9 1.1 63 123 A E T 34 S+ 0 0 94 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 -0.097 92.7 6.2 -56.1 137.6 -21.3 -10.4 1.1 64 124 A G T 34 S+ 0 0 4 1,-0.1 24,-0.5 21,-0.1 -1,-0.2 0.146 109.0 84.7 86.7 -20.1 -18.9 -11.3 -1.7 65 125 A Q T <4 S+ 0 0 54 -3,-1.7 24,-2.5 22,-0.2 25,-0.3 0.781 95.2 22.6 -89.6 -26.5 -18.5 -7.8 -3.2 66 126 A G S < S- 0 0 1 -4,-0.7 21,-2.2 1,-0.2 2,-0.7 0.180 116.8 -22.8-110.6-135.6 -15.8 -6.3 -1.0 67 127 A F E - B 0 86A 7 -10,-0.3 2,-0.5 -7,-0.2 -1,-0.2 -0.748 53.8-173.3 -81.9 116.4 -13.1 -7.8 1.2 68 128 A E E + B 0 85A 12 17,-1.5 17,-3.0 -2,-0.7 2,-0.3 -0.964 30.5 135.1-104.4 125.0 -13.9 -11.3 2.3 69 129 A Y E - B 0 84A 3 -2,-0.5 2,-0.3 -65,-0.3 15,-0.2 -0.996 38.6-163.6-163.9 160.9 -11.3 -12.4 4.8 70 130 A V E - B 0 83A 0 13,-1.5 13,-2.8 -2,-0.3 2,-0.5 -0.969 16.7-148.1-148.5 139.8 -10.3 -14.1 8.0 71 131 A I E - B 0 82A 6 -37,-0.4 -37,-2.9 -2,-0.3 2,-0.4 -0.945 6.3-163.9-112.9 131.1 -7.1 -13.9 9.9 72 132 A F E -AB 33 81A 0 9,-2.8 9,-2.4 -2,-0.5 2,-0.4 -0.922 10.8-159.8-109.3 141.1 -5.6 -16.7 12.0 73 133 A F E -AB 32 80A 9 -41,-2.9 -41,-2.5 -2,-0.4 7,-0.2 -0.953 14.0-155.2-124.8 139.1 -2.8 -15.9 14.5 74 134 A Q E >> - B 0 79A 10 5,-3.1 4,-1.5 -2,-0.4 5,-1.3 -0.921 10.0-167.6-113.3 103.0 -0.2 -18.1 16.1 75 135 A P T 45S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -44,-0.1 0.848 83.3 49.5 -62.2 -38.9 0.8 -16.4 19.4 76 136 A T T 45S+ 0 0 127 1,-0.2 -46,-0.1 -46,-0.2 -45,-0.0 0.894 120.6 34.9 -68.9 -38.7 3.9 -18.6 20.2 77 137 A Q T 45S- 0 0 104 2,-0.1 69,-0.3 -3,-0.1 -1,-0.2 0.573 99.7-131.9 -92.0 -10.3 5.4 -18.2 16.7 78 138 A K T <5 + 0 0 75 -4,-1.5 68,-2.5 1,-0.2 2,-0.3 0.948 64.4 126.0 50.9 53.7 4.2 -14.6 16.1 79 139 A K E < -BC 74 145A 70 -5,-1.3 -5,-3.1 66,-0.2 2,-0.3 -0.925 38.8-168.7-131.4 157.9 2.9 -15.5 12.7 80 140 A S E -BC 73 144A 1 64,-2.8 64,-2.9 -2,-0.3 2,-0.4 -0.964 12.1-150.0-141.9 162.7 -0.4 -15.1 11.0 81 141 A V E -BC 72 143A 8 -9,-2.4 -9,-2.8 -2,-0.3 2,-0.5 -0.992 10.2-161.1-132.2 125.9 -2.2 -16.2 7.9 82 142 A C E -BC 71 142A 0 60,-2.5 60,-2.8 -2,-0.4 2,-0.6 -0.931 6.7-154.4-105.4 127.8 -4.9 -14.1 6.2 83 143 A L E -BC 70 141A 0 -13,-2.8 -13,-1.5 -2,-0.5 2,-0.4 -0.926 25.1-177.3 -97.5 118.6 -7.3 -15.8 3.8 84 144 A F E +BC 69 140A 0 56,-2.7 56,-3.1 -2,-0.6 -15,-0.2 -0.968 20.7 179.3-128.9 126.5 -8.4 -13.1 1.4 85 145 A Q E -B 68 0A 4 -17,-3.0 -17,-1.5 -2,-0.4 2,-0.3 -0.911 20.6-149.4-127.2 103.2 -10.9 -13.2 -1.4 86 146 A P E -B 67 0A 0 0, 0.0 51,-3.2 0, 0.0 52,-0.3 -0.583 15.7-146.1 -77.1 131.9 -11.3 -9.8 -3.2 87 147 A G > - 0 0 0 -21,-2.2 3,-2.1 -2,-0.3 -22,-0.2 -0.211 31.9 -85.8 -92.1-177.6 -14.8 -9.2 -4.6 88 148 A S G > S+ 0 0 44 -24,-0.5 3,-0.5 1,-0.3 -22,-0.1 0.579 121.2 62.9 -72.8 -9.1 -16.0 -7.4 -7.7 89 149 A Y G 3 S+ 0 0 156 -24,-2.5 -1,-0.3 1,-0.2 -23,-0.1 0.427 95.8 63.7 -87.2 0.8 -16.1 -3.9 -6.0 90 150 A L G < S+ 0 0 16 -3,-2.1 8,-3.2 -25,-0.3 11,-0.2 0.035 78.7 143.3-106.6 27.3 -12.3 -4.2 -5.5 91 151 A E B < +G 97 0B 71 -3,-0.5 6,-0.3 6,-0.3 -3,-0.0 -0.256 26.4 171.4 -78.9 152.8 -11.4 -4.2 -9.1 92 152 A G S S+ 0 0 33 4,-2.6 6,-0.2 1,-0.9 -1,-0.1 0.358 78.0 10.6-111.6-102.6 -8.4 -2.6 -10.9 93 153 A P S > S- 0 0 59 0, 0.0 3,-2.2 0, 0.0 -1,-0.9 -0.510 115.5 -70.6 -71.1 153.7 -8.2 -3.7 -14.5 94 154 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.179 120.8 10.3 -50.2 124.3 -11.3 -5.6 -15.5 95 155 A G T 3 S+ 0 0 36 1,-0.2 41,-2.4 -7,-0.1 2,-0.3 0.373 113.9 86.3 91.6 -3.2 -11.6 -9.0 -13.8 96 156 A F B < S-H 135 0C 72 -3,-2.2 -4,-2.6 39,-0.3 -1,-0.2 -0.932 80.6-100.1-131.1 154.4 -8.7 -8.5 -11.4 97 157 A A B -G 91 0B 5 37,-2.9 37,-0.4 -2,-0.3 -6,-0.3 -0.409 41.8-107.1 -70.8 143.7 -8.2 -7.0 -7.9 98 158 A H >> - 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